N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-nitrophenoxy)acetamide

C17H15N3O7 — CID 7892464

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H15N3O7/c21-16(10-27-13-4-2-12(3-5-13)20(23)24)19-17(22)18-11-1-6-14-15(9-11)26-8-7-25-14/h1-6,9H,7-8,10H2,(H2,18,19,21,22)
InChIKeyNFJNOIXHJJAGRZ-UHFFFAOYSA-N
MW373.32 g/mol
LogP2.09
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-nitrophenoxy)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 7892464) has the molecular formula C17H15N3O7 and a molecular weight of 373.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-nitrophenoxy)acetamide
PubChem CID7892464
Molecular FormulaC17H15N3O7
Molecular Weight373.32 g/mol
Exact Mass373.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H15N3O7/c21-16(10-27-13-4-2-12(3-5-13)20(23)24)19-17(22)18-11-1-6-14-15(9-11)26-8-7-25-14/h1-6,9H,7-8,10H2,(H2,18,19,21,22)
InChIKeyNFJNOIXHJJAGRZ-UHFFFAOYSA-N
XLogP2.09
TPSA129.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide
CID 11981942
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 16522770
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931678
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 2571071
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
2-(2,5-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 2703879
2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 4826482
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 4-cyanobenzoate
CID 2592469
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 110370546
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methoxyphenoxy)acetamide
CID 17439785
methyl 2-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethoxy]phenyl]acetate
CID 7695270

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-nitrophenoxy)acetamide (CID 7892464) is N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)NC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is NFJNOIXHJJAGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O7/c21-16(10-27-13-4-2-12(3-5-13)20(23)24)19-17(22)18-11-1-6-14-15(9-11)26-8-7-25-14/h1-6,9H,7-8,10H2,(H2,18,19,21,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-nitrophenoxy)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 373.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 7892464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).